Cas no 29451-76-1 (1-Dibenzothiophenamine)
1-Dibenzothiophenamine structure
Product Name:1-Dibenzothiophenamine
CAS No:29451-76-1
MF:C12H9NS
MW:199.271561384201
CID:286662
PubChem ID:147310
Update Time:2025-04-19
1-Dibenzothiophenamine Chemical and Physical Properties
Names and Identifiers
-
- 1-Dibenzothiophenamine
- dibenzothiophen-1-amine
- DTXSID00183660
- aminodibenzothiophene
- SCHEMBL3292566
- 29451-76-1
-
- Inchi： 1S/C12H9NS/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H,13H2
- InChI Key： LUOGSASRTYIOCL-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C2C(=CC=CC1=2)N
Computed Properties
- Exact Mass: 199.04567
- Monoisotopic Mass: 199.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 218
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 54.3?2
Experimental Properties
- Density: 1.333
- Boiling Point: 413.2°C at 760 mmHg
- Flash Point: 203.7°C
- Refractive Index: 1.811
- PSA: 26.02
1-Dibenzothiophenamine Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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